# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level TDB TDB '6-METHYL-2(PROPANE-1-SULFONYL)-2H-TH' non-polymer 30 17 M # data_comp_TDB # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge TDB S1 S . 0.000 TDB C7 C . 0.000 TDB C8 C . 0.000 TDB C12 C . 0.000 TDB C13 C . 0.000 TDB C14 C . 0.000 TDB C2 C . 0.000 TDB N2 N . 0.000 TDB N1 N . 0.000 TDB B1 B . 0.000 TDB O1 O . 0.000 TDB S15 S . 0.000 TDB O15 O . 0.000 TDB O16 O . 0.000 TDB C15 C . 0.000 TDB C16 C . 0.000 TDB C17 C . 0.000 TDB H81 H . 0.000 TDB H82 H . 0.000 TDB H83 H . 0.000 TDB H12 H . 0.000 TDB H2 H . 0.000 TDB HO1 H . 0.000 TDB H151 H . 0.000 TDB H152 H . 0.000 TDB H161 H . 0.000 TDB H162 H . 0.000 TDB H171 H . 0.000 TDB H172 H . 0.000 TDB H173 H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type TDB S1 C7 single TDB S1 C14 single TDB C7 C8 single TDB C7 C12 double TDB C8 H81 single TDB C8 H82 single TDB C8 H83 single TDB C12 C13 single TDB C12 H12 single TDB C13 C14 double TDB C13 B1 single TDB C14 C2 single TDB C2 N2 double TDB C2 H2 single TDB N2 N1 single TDB N1 B1 single TDB N1 S15 single TDB B1 O1 single TDB O1 HO1 single TDB S15 O15 double TDB S15 O16 double TDB S15 C15 single TDB C15 C16 single TDB C15 H151 single TDB C15 H152 single TDB C16 C17 single TDB C16 H161 single TDB C16 H162 single TDB C17 H171 single TDB C17 H172 single TDB C17 H173 single